Empirical Kinetics Equation of the Synthesis of NTO in Nitric Acid

• Published in: Propellants, explosives, pyrotechnics explosives, pyrotechnics, 2016-12, Vol.41 (6), p.1085-1091
• Main Authors: Zhao, Yun, Chen, Shusen, Jin, Shaohua, Li, Lijie, Dong, Xiaoyan, Xing, Ruoting, Lu, Zhiyan, Liu, Qiaoe, Li, Wei, Zhang, Bo
• Format: Article
• Language: English
• Subjects: 3-Nitro-1; 3-Nitro-1,2,4-triazol-5-one (NTO); 4-triazol-5-one (NTO); Empirical equation; Empirical equations; Kinetic equations; Kinetics; Mathematical models; Nitration; Nitric acid; Reaction kinetics; Synthesis; Synthesis (chemistry)
• ISSN: 0721-3115; 1521-4087
• DOI: 10.1002/prep.201500334

The influence of concentration of reactants (HNO3 and TO) and reaction temperature on the rate of synthesis of NTO from TO in nitric acid solution was investigated by using an experimental kinetics model. An exponential kinetic equation was established by nitration of TO in 60.4–76.2 % HNO3. Experimental data of the nitration of TO with 60.0–96.7 % HNO3 were used to verify this model. Kinetic parameters such as apparent reaction orders of TO and HNO3, activation energy and frequency factor for nitration of TO were determined. The values of nitration rate calculated were similar to those measured. This model can quantitatively and qualitatively describe the influence of concentration of reactants and reaction temperature on the rate of nitration TO. In addition, it was found that the kinetics model is potentially suitable for approximately predicting the rate of NTO synthesis from TO.